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13208-35-0 | Urea, N-(3-chlorophenyl)-N'-2-pyridinyl-
CAS No: 13208-35-0 Catalog No: AG00106I MDL No:
Product Description
Catalog Number:
AG00106I
Chemical Name:
Urea, N-(3-chlorophenyl)-N'-2-pyridinyl-
CAS Number:
13208-35-0
Molecular Formula:
C12H10ClN3O
Molecular Weight:
247.6803
IUPAC Name:
1-(3-chlorophenyl)-3-pyridin-2-ylurea
InChI:
InChI=1S/C12H10ClN3O/c13-9-4-3-5-10(8-9)15-12(17)16-11-6-1-2-7-14-11/h1-8H,(H2,14,15,16,17)
InChI Key:
LEDPUJHOWZLFHO-UHFFFAOYSA-N
SMILES:
O=C(Nc1cccc(c1)Cl)Nc1ccccn1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.682g/mol
Monoisotopic Mass:
247.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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